Complexes after comparative docking

Receptor: model based on 1I2Z chain:A
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
NAD_E_5 0.000 8.9 1 63.1 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 1I2Z Raw
654_G_7 0.000 4.5 0.48 53.4 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE 1I2Z Raw